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5jsj

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Revision as of 19:04, 20 September 2023

Crystal structure of Spindlin1 bound to compound EML631

Structural highlights

5jsj is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.348Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

SPIN1_HUMAN May play a role in cell-cycle regulation during the transition from gamete to embryo (By similarity).

Publication Abstract from PubMed

The discovery of inhibitors of methyl- and acetyl-binding domains has provided evidence for the 'druggability' of epigenetic effector molecules. The small-molecule probe UNC1215 prevents methyl-dependent protein-protein interactions by engaging the aromatic cage of MBT domains and, with lower affinity, Tudor domains. Using a library of tagged UNC1215 analogs, we screened a protein-domain microarray of human methyllysine effector molecules to rapidly detect compounds with new binding profiles with either increased or decreased specificity. Using this approach, we identified a compound (EML405) that acquired a novel interaction with the Tudor-domain-containing protein Spindlin1 (SPIN1). Structural studies facilitated the rational synthesis of SPIN1 inhibitors with increased selectivity (EML631-633), which engage SPIN1 in cells, block its ability to 'read' H3K4me3 marks and inhibit its transcriptional-coactivator activity. Protein microarrays can thus be used as a platform to 'target-hop' and identify small molecules that bind and compete with domain-motif interactions.

Developing Spindlin1 small-molecule inhibitors by using protein microarrays.,Bae N, Viviano M, Su X, Lv J, Cheng D, Sagum C, Castellano S, Bai X, Johnson C, Khalil MI, Shen J, Chen K, Li H, Sbardella G, Bedford MT Nat Chem Biol. 2017 Jul;13(7):750-756. doi: 10.1038/nchembio.2377. Epub 2017 May , 15. PMID:28504676^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Bae N, Viviano M, Su X, Lv J, Cheng D, Sagum C, Castellano S, Bai X, Johnson C, Khalil MI, Shen J, Chen K, Li H, Sbardella G, Bedford MT. Developing Spindlin1 small-molecule inhibitors by using protein microarrays. Nat Chem Biol. 2017 Jul;13(7):750-756. doi: 10.1038/nchembio.2377. Epub 2017 May , 15. PMID:28504676 doi:http://dx.doi.org/10.1038/nchembio.2377

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/5jsj"

Categories: Homo sapiens | Large Structures | Li H | Su X

@@ Line 1: / Line 1: @@
 ==Crystal structure of Spindlin1 bound to compound EML631==
-<StructureSection load='5jsj' size='340' side='right' caption='[[5jsj]], [[Resolution|resolution]] 2.35&Aring;' scene=''>
+<StructureSection load='5jsj' size='340' side='right'caption='[[5jsj]], [[Resolution|resolution]] 2.35&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5jsj]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JSJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JSJ FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5jsj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JSJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JSJ FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6PD:[4-(2-PYRROLIDIN-1-YLETHYL)PIPERIDIN-1-YL]-[4-[4-(2-PYRROLIDIN-1-YLETHYL)PIPERIDIN-1-YL]CARBONYL-3-[[4-(PYRROLIDIN-1-YLMETHOXY)PHENYL]AMINO]PHENYL]METHANONE'>6PD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.348&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5jsg|5jsg]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6PD:[4-(2-PYRROLIDIN-1-YLETHYL)PIPERIDIN-1-YL]-[4-[4-(2-PYRROLIDIN-1-YLETHYL)PIPERIDIN-1-YL]CARBONYL-3-[[4-(PYRROLIDIN-1-YLMETHOXY)PHENYL]AMINO]PHENYL]METHANONE'>6PD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">SPIN1, OCR, SPIN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5jsj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jsj OCA], [https://pdbe.org/5jsj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jsj RCSB], [https://www.ebi.ac.uk/pdbsum/5jsj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jsj ProSAT]</span></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5jsj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jsj OCA], [http://pdbe.org/5jsj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jsj RCSB], [http://www.ebi.ac.uk/pdbsum/5jsj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jsj ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/SPIN1_HUMAN SPIN1_HUMAN]] May play a role in cell-cycle regulation during the transition from gamete to embryo (By similarity).
+[https://www.uniprot.org/uniprot/SPIN1_HUMAN SPIN1_HUMAN] May play a role in cell-cycle regulation during the transition from gamete to embryo (By similarity).
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 20: / Line 19: @@
 </div>
 <div class="pdbe-citations 5jsj" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Spindlin|Spindlin]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Human]]
+[[Category: Homo sapiens]]
-[[Category: Li, H]]
+[[Category: Large Structures]]
-[[Category: Su, X]]
+[[Category: Li H]]
-[[Category: Cell cycle]]
+[[Category: Su X]]
-[[Category: Tudor domain]]

5jsj

From Proteopedia

Revision as of 19:04, 20 September 2023

Crystal structure of Spindlin1 bound to compound EML631

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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